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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > acetate salt > ceftaroline fosamil acetate

Preferred term

ceftaroline fosamil acetate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C24H25N8O10PS4

has_part

has_role

inchi

  • InChI=1S/C22H21N8O8PS4.C2H4O2/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10;1-2(3)4/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37);1H3,(H,3,4)/b26-13-;/t14-,19-;/m1./s1

inchikey

  • UGHHNQFYEVOFIV-VRDMTWHKSA-N

mass

  • 744.73700

monoisotopicmass

  • 744.03141

smiles

  • CC(O)=O.[H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)/c1nsc(NP(O)(O)=O)n1)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (6R,7R)-7-({(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}amino)-3-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate acetate
  • ceftaroline fosamil acetate (anhydrous)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70715

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